1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one

C20H20N6OS — CID 154653655

IUPAC1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one
SMILESCSc1cnc(N[C@H]2C=C[C@H](Nc3ccc(-n4ccccc4=O)cn3)C2)nc1
InChIInChI=1S/C20H20N6OS/c1-28-17-12-22-20(23-13-17)25-15-6-5-14(10-15)24-18-8-7-16(11-21-18)26-9-3-2-4-19(26)27/h2-9,11-15H,10H2,1H3,(H,21,24)(H,22,23,25)/t14-,15-/m0/s1
InChIKeyOOVMGZLVJLJMDO-GJZGRUSLSA-N
MW392.49 g/mol
LogP2.97
Rot. Bonds6

About 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one

1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 154653655) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one
PubChem CID154653655
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one
SMILESCSc1cnc(N[C@H]2C=C[C@H](Nc3ccc(-n4ccccc4=O)cn3)C2)nc1
InChIInChI=1S/C20H20N6OS/c1-28-17-12-22-20(23-13-17)25-15-6-5-14(10-15)24-18-8-7-16(11-21-18)26-9-3-2-4-19(26)27/h2-9,11-15H,10H2,1H3,(H,21,24)(H,22,23,25)/t14-,15-/m0/s1
InChIKeyOOVMGZLVJLJMDO-GJZGRUSLSA-N
XLogP2.97
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260
8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330261
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
6-bromo-8-cyclopentyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330264
8-cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330265
Pyrido-[2,3-d]-pyrimidin-7-one 23
CID 5330266
8-cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330267
Pyrido-[2,3-d]-pyrimidin-7-one 25
CID 5330268
Pyrido-[2,3-d]-pyrimidin-7-one 33
CID 5330276
Pyrido[2,3-d]pyriMidin-7(8H)-one, 8-cyclopentyl-5-Methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]aMino]-
CID 5330281
6-Bromo-8-cyclopentyl-5-methyl-2-(5-piperizin-1-yl-pyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one Hydrochloride
CID 5330284

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one (CID 154653655) is 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one is CSc1cnc(N[C@H]2C=C[C@H](Nc3ccc(-n4ccccc4=O)cn3)C2)nc1.
What is the InChIKey of 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one?
The InChIKey is OOVMGZLVJLJMDO-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-28-17-12-22-20(23-13-17)25-15-6-5-14(10-15)24-18-8-7-16(11-21-18)26-9-3-2-4-19(26)27/h2-9,11-15H,10H2,1H3,(H,21,24)(H,22,23,25)/t14-,15-/m0/s1.
What are the key properties of 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one?
1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 392.49 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1R,4R)-4-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopent-2-en-1-yl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 154653655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).